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GCMS Peak Alignment: Data and Results
Data and results for paper on peak alignment using Deep Learning.
Data folder contains 12 data sets for training and test, as well as Excel template for manually grouping the peaks found.
Results folder contains all the results reported in the paper. They are organised into four folders, each folder contains the trained models and the pre... moredictions.
The data was extracted from peak detection results of several data sets, most of which are at: https://data.csiro.au/dap/landingpage?pid=csiro:38997 less
Pattern Recognition and Data Mining
Full information about the data and methods can be found in the paper.
CSIRO Data Licence
Wang, Rosalind; Li, Mike (2019): GCMS Peak Alignment: Data and Results. v1. CSIRO. Data Collection.
All Rights (including copyright) CSIRO 2019.
The metadata and files (if any) are available to the public.
Biomarkers for Health and Biosecurity
This project nurtures and develops the volatilomic capability to analyse volatile organic compounds (VOCs) in breath and other biological samples (skin, sweat, urine, blood etc, sap, xylem fluid etc) and applies this technology to achieving early proof of principle for better diagnosis of selected human and livestock diseases. For example, previou... moresly this project obtained the evidence that thioethers are elevated in the breath of malaria patients, which lead to a significant BM&GF-funded collaboration to validate the biomarkers and to a $330k investment from the Australian Cancer Research Foundation to purchase a QQQ-GC-MS. In the current financial year, this strategic project is targetted towards the following goals: • In collaboration with Prof. Kwun Fong, Clinical Manager of the Pulmonary Malignancy Unit at the Prince Charles Hospital, obtain sufficient preliminary data to support successful external grant applications to validate and exploit breath biomarkers for early lung cancer diagnosis. • In collaboration with researchers and clinicians at QIMR and TPCH or ANU, identify breath volatiles in patients with a form of liver disease that could serve as non-invasive biomarkers to predict episodes when the disease worsens. • Knowledge of the exact concentrations of diagnostic VOCs in breath is critically important to guide the development of diagnostic tools. Therefore, we will establish calibration curves for breath biomarkers using a newly purchased Owlstone calibration gas generator to simulate human breath. • Scope out a study to investigate the contribution of different breath and other volatiles to host finding specificity in insect disease vectors. In each case, the initial aim is to obtain sufficient data to enable a successful NHMRC, or equivalent, funding application.
The eventual aim outcome of many of these projects will be to develop non-invasive ways to diagnose malaria, lung cancer, some forms of liver disease and other diseases using off the shelf, CSIRO proprietary (e.g. CYBERNOSE® or silky porphyrins) or third party technologies. less
Results from experiments